(Z)-3-(4-methylphenyl)-1-phenyl-2-(trifluoromethyl)prop-2-en-1-one

C17H13F3O — CID 102229425

IUPAC(Z)-3-(4-methylphenyl)-1-phenyl-2-(trifluoromethyl)prop-2-en-1-one
SMILESCc1ccc(/C=C(/C(=O)c2ccccc2)C(F)(F)F)cc1
InChIInChI=1S/C17H13F3O/c1-12-7-9-13(10-8-12)11-15(17(18,19)20)16(21)14-5-3-2-4-6-14/h2-11H,1H3/b15-11-
InChIKeyFJIALYRQIIVWAZ-PTNGSMBKSA-N
MW290.28 g/mol
LogP4.82
Rot. Bonds3

About (Z)-3-(4-methylphenyl)-1-phenyl-2-(trifluoromethyl)prop-2-en-1-one

(Z)-3-(4-methylphenyl)-1-phenyl-2-(trifluoromethyl)prop-2-en-1-one (PubChem CID 102229425) has the molecular formula C17H13F3O and a molecular weight of 290.28 g/mol. Its IUPAC name is (Z)-3-(4-methylphenyl)-1-phenyl-2-(trifluoromethyl)prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-(4-methylphenyl)-1-phenyl-2-(trifluoromethyl)prop-2-en-1-one
PubChem CID102229425
Molecular FormulaC17H13F3O
Molecular Weight290.28 g/mol
Exact Mass290.09
IUPAC Name(Z)-3-(4-methylphenyl)-1-phenyl-2-(trifluoromethyl)prop-2-en-1-one
SMILESCc1ccc(/C=C(/C(=O)c2ccccc2)C(F)(F)F)cc1
InChIInChI=1S/C17H13F3O/c1-12-7-9-13(10-8-12)11-15(17(18,19)20)16(21)14-5-3-2-4-6-14/h2-11H,1H3/b15-11-
InChIKeyFJIALYRQIIVWAZ-PTNGSMBKSA-N
XLogP4.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-1-(4-hydroxyphenyl)-3-phenyl-2-(trifluoromethyl)prop-2-en-1-one
CID 102229426
(E)-3-(3,5-dibromophenyl)-1-phenyl-2-(trifluoromethyl)prop-2-en-1-one
CID 122402631
[(Z)-1-(4-methylphenyl)-3-oxo-3-phenylprop-1-en-2-yl] acetate
CID 132576918
2-[(4-methylphenyl)methylidene]-1-phenylbutane-1,3-dione
CID 23267679
1-(4-methylphenyl)-3,3-diphenyl-2-(trifluoromethyl)prop-2-en-1-one
CID 71363336
(E)-2-[(dimethylamino)methyl]-3-(4-methylphenyl)-1-phenylprop-2-en-1-one
CID 158443747
(Z)-2-fluoro-1,3-bis(4-methylphenyl)prop-2-en-1-one
CID 102132917
(2Z)-2-benzylidene-4,4,4-trifluoro-1-phenylbutane-1,3-dione
CID 126359991
[(E)-1-fluoro-2-(4-methylphenyl)ethenyl] benzoate
CID 135004942
benzoic acid;4-methylbenzoic acid
CID 71272637
1-[(E)-2-bromo-2-phenylethenyl]-4-methylbenzene
CID 102070400
potassium trifluoro-[(Z)-2-(4-methylphenyl)-1-phenylethenyl]boranuide
CID 134876226

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-methylphenyl)-1-phenyl-2-(trifluoromethyl)prop-2-en-1-one?
The IUPAC name of (Z)-3-(4-methylphenyl)-1-phenyl-2-(trifluoromethyl)prop-2-en-1-one (CID 102229425) is (Z)-3-(4-methylphenyl)-1-phenyl-2-(trifluoromethyl)prop-2-en-1-one.
What is the SMILES notation for (Z)-3-(4-methylphenyl)-1-phenyl-2-(trifluoromethyl)prop-2-en-1-one?
The canonical SMILES for (Z)-3-(4-methylphenyl)-1-phenyl-2-(trifluoromethyl)prop-2-en-1-one is Cc1ccc(/C=C(/C(=O)c2ccccc2)C(F)(F)F)cc1.
What is the InChIKey of (Z)-3-(4-methylphenyl)-1-phenyl-2-(trifluoromethyl)prop-2-en-1-one?
The InChIKey is FJIALYRQIIVWAZ-PTNGSMBKSA-N. The full InChI is InChI=1S/C17H13F3O/c1-12-7-9-13(10-8-12)11-15(17(18,19)20)16(21)14-5-3-2-4-6-14/h2-11H,1H3/b15-11-.
What are the key properties of (Z)-3-(4-methylphenyl)-1-phenyl-2-(trifluoromethyl)prop-2-en-1-one?
(Z)-3-(4-methylphenyl)-1-phenyl-2-(trifluoromethyl)prop-2-en-1-one has a molecular weight of 290.28 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-methylphenyl)-1-phenyl-2-(trifluoromethyl)prop-2-en-1-one is sourced from PubChem (CID 102229425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).